CID 14034001

9-hydroxy-4-methoxypsoralen 9-glucoside

Structural Information

Molecular Formula
C18H18O10
SMILES
COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C18H18O10/c1-24-14-7-2-3-10(20)27-16(7)17(15-8(14)4-5-25-15)28-18-13(23)12(22)11(21)9(6-19)26-18/h2-5,9,11-13,18-19,21-23H,6H2,1H3
InChIKey
BPZBSASYSWKXFS-UHFFFAOYSA-N
Compound name
4-methoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.09 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09728 183.4
[M+Na]+ 417.07922 192.7
[M-H]- 393.08272 190.4
[M+NH4]+ 412.12382 192.1
[M+K]+ 433.05316 193.8
[M+H-H2O]+ 377.08726 177.1
[M+HCOO]- 439.08820 196.3
[M+CH3COO]- 453.10385 215.3
[M+Na-2H]- 415.06467 186.8
[M]+ 394.08945 191.3
[M]- 394.09055 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.